IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
NA - Nord America 2.527
EU - Europa 1.104
AS - Asia 792
AF - Africa 124
SA - Sud America 106
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 1
Totale 4.660
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Nazione #
US - Stati Uniti d'America 2.422
SG - Singapore 402
UA - Ucraina 284
IE - Irlanda 269
CN - Cina 268
IT - Italia 194
CA - Canada 102
BR - Brasile 98
CI - Costa d'Avorio 92
VN - Vietnam 85
DE - Germania 83
RU - Federazione Russa 82
SE - Svezia 62
FI - Finlandia 44
FR - Francia 28
SN - Senegal 26
GB - Regno Unito 16
AT - Austria 8
TR - Turchia 8
CH - Svizzera 7
LB - Libano 7
AU - Australia 6
GR - Grecia 6
UZ - Uzbekistan 6
CZ - Repubblica Ceca 5
IN - India 5
NL - Olanda 5
EC - Ecuador 3
MX - Messico 3
PL - Polonia 3
AR - Argentina 2
CL - Cile 2
EE - Estonia 2
JP - Giappone 2
KZ - Kazakistan 2
TN - Tunisia 2
ZA - Sudafrica 2
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
EG - Egitto 1
ES - Italia 1
EU - Europa 1
GE - Georgia 1
ID - Indonesia 1
JO - Giordania 1
KE - Kenya 1
KW - Kuwait 1
NO - Norvegia 1
PK - Pakistan 1
PS - Palestinian Territory 1
RO - Romania 1
RS - Serbia 1
SI - Slovenia 1
VE - Venezuela 1
Totale 4.660
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Città #
Santa Clara 532
Chandler 358
Jacksonville 352
Dublin 269
Singapore 245
Chicago 228
Boardman 130
Catania 109
Abidjan 92
Dong Ket 84
Nanjing 81
Toronto 78
Lawrence 76
Andover 75
Cambridge 75
Des Moines 43
Ashburn 42
Helsinki 41
San Mateo 41
Bremen 38
Nanchang 38
Council Bluffs 34
Wilmington 28
Shenyang 27
Dakar 26
Civitanova Marche 24
Grafing 19
Hebei 19
Ottawa 18
Saint Petersburg 14
Changsha 13
Tianjin 12
San Francisco 11
Jinan 10
Hangzhou 8
Moscow 7
Nuremberg 7
Liberty Lake 6
São Paulo 6
Belo Horizonte 5
Jiaxing 5
Montreal 5
Munich 5
Taizhou 5
Zhengzhou 5
Beijing 4
Falls Church 4
Kunming 4
Melbourne 4
Messina 4
Naples 4
Seattle 4
Washington 4
Den Haag 3
Fortaleza 3
Los Angeles 3
Milan 3
Misterbianco 3
Phoenix 3
Pune 3
Rome 3
Salvador 3
Tappahannock 3
Tashkent 3
Campo Grande 2
Curitiba 2
Itapevi 2
Jacareí 2
Lanzhou 2
Ludwigshafen 2
New York 2
Norwalk 2
Patti 2
Porto Alegre 2
Quito 2
Redmond 2
Ribeirão das Neves 2
Rio de Janeiro 2
Sete Lagoas 2
Shanghai 2
Shenzhen 2
Sorocaba 2
Tallinn 2
Taormina 2
Tokyo 2
Adapazarı 1
Alagoinhas 1
Almaty 1
Amaxac de Guerrero 1
Amman 1
Amparo 1
Andradina 1
Aragoiânia 1
Araguaína 1
Ashland 1
Augusta 1
Baku 1
Barra da Estiva 1
Bauru 1
Blandengues 1
Totale 3.468
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Nome #
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 113
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 113
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 90
Bond-order, stretched chemical bonds and electron correlation 84
Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene 79
Experimental and in silico characterization of a biologically active inosose 79
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 78
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 77
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 74
ADPs simulations as an additional source of fine structural information 74
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 73
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 72
Relation between molecular and atomic correlation energies via overlap population 72
An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties 72
From molecules and clusters of atoms to solid state properties 72
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 71
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 70
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters 70
Interfacial diffusion controlled reactions with time varying absorbing domains 69
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 69
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 68
Scaling properties of correlation energies of homonuclear diatoms 68
High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-cyclodextrin 68
“Dissociation energies in polyatomic molecules and metal clusters” 67
Study of cis-trans isomerization of polyacetylene induced by doping 67
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 66
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations 66
Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal 66
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 66
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug 66
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 65
Quantum mechanical studies of organometallic materials containing the Se-Te bond 65
Functional hybrid co-crystals of humic substances: a growth forecast 64
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 63
Correlation energies in polyatomic molecules modelled in terms of bond order 63
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups 62
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 62
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 61
Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study 60
Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations 59
Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study 59
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 58
Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene 58
STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE 58
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 58
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 57
Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene] 57
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 56
A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs) 55
High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin 54
NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128) 54
A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides 53
Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations 53
Mesomeric and pi-moments in some hetero-conjugated compounds 53
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 53
A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD)approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs) 52
Structural, morphological, and modeling studies of N-(benzoyloxy)benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase 51
A top-down approach to crystal engineering of a racemic Δ2-isoxazoline 51
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 50
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 49
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 49
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 48
The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins 47
MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs) 47
Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph 47
Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film 45
Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene] 44
Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts 43
Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions 43
From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011 43
Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis 42
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 41
THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS 40
Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids 38
Tsallis q-exponentials as atomic orbitals in two-electron systems 38
Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine 35
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 35
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals 33
Anomalous sorption kinetics of self-interacting particles by a spherical trap 24
Force field and quantum mechanical study of 3-aminopropyltriethoxy silane sorption on hydroxyl free yttria surface 24
Totale 4.758
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Categoria #
all - tutte 16.260
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 16.260
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/2020119 0 0 0 0 0 0 0 0 42 6 52 19
2020/2021560 0 41 76 2 122 12 68 0 62 0 71 106
2021/2022622 72 76 3 23 106 3 80 13 60 0 8 178
2022/2023963 84 51 10 125 101 173 3 154 220 6 22 14
2023/2024462 31 46 13 32 13 90 0 25 1 91 72 48
2024/20251.480 35 423 85 50 433 198 98 81 77 0 0 0
Totale 4.758